Vitas-M small molecule compound

methyl {[(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK921541
SMILES COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(c(c1OC)OC)OC)/C2=O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H20O8 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O8/c1-24-15-8-5-12(20(26-3)21(15)27-4)9-17-19(23)14-7-6-13(10-16(14)29-17)28-11-18(22)25-2/h5-10H,11H2,1-4H3/b17-9-
InChIKey
VYLOGTLEYUBRSC-MFOYZWKCSA-N
Synonyms
620547-62-8
(Z)methyl2((3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)acetate
620547628
COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(c(c1OC)OC)OC)C2=O
COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC)OC)OC
InChI=1SC21H20O8c124158512(20(263)21(15)274)91719(23)147613(1016(14)2917)281118(22)252h510H11H214H3b179
methyl(((2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)acetate
METHYL2(((2Z)3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)OXY)ACETATE
METHYL2(3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLOXY)ACETATE
MFCD04144351
ZINC000002156347
ZINC02156347
ZINC2156347

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.